N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide

C9H15N3O2S — CID 102693045

IUPACN-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCC1CC1CN(C)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H15N3O2S/c1-7-5-8(7)6-12(2)15(13,14)9-3-4-10-11-9/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)
InChIKeyUJPDUIHRVQMFTO-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.69
Rot. Bonds4

About N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide

N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102693045) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID102693045
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC NameN-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCC1CC1CN(C)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C9H15N3O2S/c1-7-5-8(7)6-12(2)15(13,14)9-3-4-10-11-9/h3-4,7-8H,5-6H2,1-2H3,(H,10,11)
InChIKeyUJPDUIHRVQMFTO-UHFFFAOYSA-N
XLogP0.69
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-pyrazole-3-sulfonamide
CID 17928041
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102691910
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692085
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692155
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692168
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692171
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692181
1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine
CID 102692807
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-sulfonamide
CID 102692813
N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692869
N-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide
CID 102693131
N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
CID 102693247

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide (CID 102693045) is N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide is CC1CC1CN(C)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is UJPDUIHRVQMFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-7-5-8(7)6-12(2)15(13,14)9-3-4-10-11-9/h3-4,7-8H,5-6H2,1-2H3,(H,10,11).
What are the key properties of N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide?
N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).